HRID105581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6581

Acrylic acid

C3H4O2

结构：Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

HCID8398

2,2'-Methylenebis(4-methyl-6-tert-butylphenol)

C23H32O2

HCID8471

Triethylamine

C6H15N

HCID8900

Heptane

C7H16

HCID24613

Phosphoric tribromide

Br3OP

PRODUCTS

生成物

HCID6581

Acrylic acid

C3H4O2

HCID8398

2,2'-Methylenebis(4-methyl-6-tert-butylphenol)

C23H32O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3affa6c673543d8979380ea130964bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[c:3]([OH:13])[c:4]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:5][c:6]([CH3:8])[cH:7]1)[c:14]1[c:15]([OH:25])[c:16]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:17][c:18]([CH3:20])[cH:19]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[OH2:43].[OH:26][C:27](=[O:28])[CH:29]=[CH2:30].[P:38]([Br:39])([Br:40])([Br:41])=[O:42]>>[CH2:1]([c:2]1[c:3]([OH:13])[c:4]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:5][c:6]([CH3:8])[cH:7]1)[c:14]1[c:15]([OH:25])[c:16]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:17][c:18]([CH3:20])[cH:19]1.[O:26]=[C:27]([OH:28])[CH:29]=[CH2:30]